CID 135495567

16018-52-3

Structural Information

Molecular Formula
C12H13N5O
SMILES
CC1=CC(=O)NC(=N1)/N=C(\N)/NC2=CC=CC=C2
InChI
InChI=1S/C12H13N5O/c1-8-7-10(18)16-12(14-8)17-11(13)15-9-5-3-2-4-6-9/h2-7H,1H3,(H4,13,14,15,16,17,18)
InChIKey
JPYAJXKPGDZAIN-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

243.11201 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 153.9
[M+Na]+ 266.10123 161.1
[M-H]- 242.10473 158.0
[M+NH4]+ 261.14583 167.4
[M+K]+ 282.07517 156.6
[M+H-H2O]+ 226.10927 144.5
[M+HCOO]- 288.11021 178.4
[M+CH3COO]- 302.12586 198.3
[M+Na-2H]- 264.08668 160.9
[M]+ 243.11146 150.3
[M]- 243.11256 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe